2-Oxetanone, 3-hexyl-4-[(2S)-2-hydroxytridecyl]-, (3S,4S)-


Chemical Name: 2-Oxetanone, 3-hexyl-4-[(2S)-2-hydroxytridecyl]-, (3S,4S)-
CAS Number: 68711-40-0
Product Number: AG0061QU(AGN-PC-0OGMF6)
Synonyms:
MDL No:
Molecular Formula: C22H42O3
Molecular Weight: 354.5671

Identification/Properties


Properties
MP:
61-63ºC
BP:
467.893°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
354.575g/mol
XLogP3:
8.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
17
Exact Mass:
354.313g/mol
Monoisotopic Mass:
354.313g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
329
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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